/cclib

Parsers and algorithms for computational chemistry logfiles

Primary LanguagePythonGNU Lesser General Public License v2.1LGPL-2.1

cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way.

For more information, go to http://cclib.github.io. There is a mailing list for questions at cclib-users@lists.sourceforge.net.